Mainz 2017 – scientific programme
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MO: Fachverband Molekülphysik
MO 14: Theory of Coupled Systems
MO 14.7: Talk
Thursday, March 9, 2017, 12:30–12:45, N 25
Impact of dipole dispersion forces on the spectroscopic properties of a molecule — •Johannes Fiedler1, Saunak Das2,3, Martin Presselt2,3, Michael Walter1,4, and Stefan Yoshi Buhmann1 — 1Institute of Physics, University of Freiburg, Germany — 2Institute of Physical Chemistry, University of Jena, Germany — 3Leibniz Institute of Photonic Technology, Germany — 4Fraunhofer Institute for Mechanics of Materials, Germany
In molecular systems, dipole forces play an important role in determining their physical properties, such as bond length, binding energy and the electromagnetic response of the whole aggregate. Their impact is investigated in recent experiments and theories [1,2]. One typically distinguishes forces may arising from permanent from those being due to induced dipole moments.
We investigate the influence of dielectric response of a particle in the presence of a second one, where the two interact via the London dispersion force. We present the results of a quantum optical description based on macroscopic quantum electrodynamics and compare them with results obtained from density functional theory [3]. In particular, we study how the impact of the second particle on the first depends on the interparticle separation and their mutual orientation.
[1] V.V. Gobre, A. Tkatchenko, nature communications 4, 2341 (2013).
[2] S.Y. Buhmann, Dispersion forces I, Springer (Heidelberg, Berlin) 2012.
[3] T.E. Shubina et al., J. Am. Chem. Soc. 136, 10890 (2014).